CID 3043912

56353-75-4

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCC(=O)OC1(C(=O)NC(=O)N(C1=O)CC)C(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O5/c1-4-13(20)24-17(11(3)12-9-7-6-8-10-12)14(21)18-16(23)19(5-2)15(17)22/h6-11H,4-5H2,1-3H3,(H,18,21,23)
InChIKey
AWTWJCAXOOZYJX-UHFFFAOYSA-N
Compound name
[1-ethyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.144476 174.6
[M+Na]+ 355.126418 181.2
[M-H]- 331.129924 177.1
[M+NH4]+ 350.171023 186.8
[M+K]+ 371.100358 178.3
[M+H-H2O]+ 315.134460 166.7
[M+HCOO]- 377.135401 189.3
[M+CH3COO]- 391.151051 207.8
[M+Na-2H]- 353.111866 174.5
[M]+ 332.13665142 174.8
[M]- 332.13774858 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.